SCHEMBL3729291

SCHEMBL3729291

CC(C)(CC(C(=O)N1CCN(c2c(-c3cccc(F)c3)cnc3[nH]ccc23)CC1)c1ccc(Cl)cc1)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 14/20 0.46
KIT P10721 3/20 0.37
AKT3 Q9Y243 4/20 0.36
AKT2 P31751 3/20 0.36
RPS6KA3 P51812 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDK19 Q9BWU1 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3723838 0.92 AKT1 (0.43) AKT1KITAKT3AKT2MAPK1
SCHEMBL3723841 0.92 AKT1 (0.43) AKT1KITAKT3AKT2MAPK1
SCHEMBL3719675 0.91 AKT1 (0.49) AKT1KITAKT3AKT2RPS6KA3
SCHEMBL3719679 0.91 AKT1 (0.49) AKT1KITAKT3AKT2RPS6KA3
SCHEMBL3779211 0.88 AKT1 (0.43) AKT1KITAKT3AKT2RPS6KA3
SCHEMBL3779207 0.88 AKT1 (0.43) AKT1KITAKT3AKT2RPS6KA3
SCHEMBL3726802 0.86 AKT1 (0.48) AKT1AKT3AKT2
SCHEMBL3726798 0.86 AKT1 (0.48) AKT1AKT3AKT2
SCHEMBL3724349 0.85 AKT1 (0.45) AKT1KITAKT3AKT2RPS6KA3
SCHEMBL3729293 0.84 AKT1 (0.45) AKT1KITAKT3AKT2RPS6KA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841304-B2 Pyrrolopyridines as kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-23 US disclosed
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-08-07 US disclosed
EP-2242755-B1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-12 EP disclosed
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-12-23 US disclosed
EP-2242755-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 EP disclosed
WO-2009089352-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140221370-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 537/4885KIT 1127/4885AKT3 484/4885
US-20100324041-A1 PYRROLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B AKT1 531/4885KIT 1158/4885AKT3 492/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.